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Chemical structure of Vinflunine ditartrate

GC61584

Vinflunine ditartrate

Also known as bis((2R,3R)-2,3-dihydroxybutanedioic acid);methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

Vinflunine ditartrate is the first fluorinated microtubule inhibitor belonging to the Vinca alkaloids family· Vinflunine ditartrate has anti-angiogenic, vascular-disrupting and anti-metastatic activities· Vinflunine ditartrate can be used for the research of transitional cell carcinoma of the urothelial tract, non-small cell lung cancer, and carcinoma of the breast

ChemicalCAS194468-36-5MW1117.1FormulaC53H66F2N4O20
CAS number
194468-36-5
Molecular weight
1117.1
Formula
C53H66F2N4O20
InChIKey
YIHUEPHBPPAAHH-IIQAEXPMSA-N
Catalogue number
GC61584
Brand
GLPBIO
Computed properties PubChem CID 16220212 · TPSA 364 Ų · H-bond donors 10 · H-bond acceptors 25
TPSA
364 Ų
H-bond donors
10
H-bond acceptors
25
Rotatable bonds
16
Heavy atoms
79

SMILES CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Computed descriptors from PubChem (CID 16220212), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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